benzophenone

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:119-53-9

MDL number:MFCD00004496

EINECS number:204-331-3

RTECS number:DI1590000

BRN number:391839

PubChem ID:None

Physical property data

1. Properties: White crystal. Can reduce Fehling’s solution.

2. Density (g/mL, 25/4℃): 1.310

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 137

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 102.9kPa): 334

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7. Refractive index: Undetermined

8. Flash point (ºC): 181

9. Crystalline phase Standard heat of combustion (enthalpy) (kJ·mol ^-1): -6976.4

10. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -247.7

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined

17.Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble in pyridine, boiling Ethanol and acetone, slightly soluble in ether. Soluble in 3335 parts of cold water and slightly more in hot water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 1mg/kg

Mouse oral LD50: >3g/kg

Rabbit transdermal LD50: >8870mg/kg

Ecological data

Mildly hazardous to water.

Molecular structure data

1. Molar refractive index: 62.30

2. Molar volume (cm³/mol): 179.9

3. Isotonic specific volume (90.2K): 479.9

4. Surface tension (dyne/cm): 50.6

5. Polarizability (10-24cm3): 24.70

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 225

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidizing agents.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.

Synthesis method

It is produced by the condensation of two molecules of benzaldehyde under the catalytic action of potassium cyanide (or sodium).

Purpose

Fluorescence reaction tests zinc. Standards for calorimetry. preservative. Organic Synthesis.